相关论文: Off-centered Pb interstitials in PbTe
We examine the nonequilibrium nature of two-phase fluid displacements in a quasi-two-dimensional medium (a model open fracture), in the presence of localized constrictions ("defects"), from a theoretical and numerical standpoint. Our…
In this article we report the results of detailed interacting boson model calculations with configuration mixing for the neutron-deficient Pb isotopes. Calculated energy levels and $B(E2)$ values for $^{188-196}$Pb are discussed and some…
In this study, we investigate the optical properties of linear and nonlinear topological in-phase, out-of-phase, and edge modes in a defected dimer lattice with fourth-order diffraction, encompassing their bifurcation characteristics,…
Transport and magnetic studies of PbTaSe$_2$ under pressure suggest existence of two superconducting phases with the low temperature phase boundary at $\sim 0.25$ GPa that is defined by a very sharp, first order, phase transition. The first…
Systematic engineering of atomic-scale low-dimensional defects in two-dimensional nanomaterials is a promising way to modulate the electronic properties of these nanomaterials. Defects at interfaces such as grain boundaries and line defects…
Orbital-ordering instability arising due to the intrapocket nesting is investigated for the tight-binding models of pnictides in the presence of orbital-lattice coupling. The incommensurate instabilities with small momentum, which may play…
In this study, we employ a first-principles approach to conduct a comprehensive investigation of the properties of nine common native point defects in cubic boron nitride. This analysis combines standard semi-local and dielectric hybrid…
Whereas low-temperature ferroelectrics have a well understood ordered spatial dipole arrangement, the fate of these dipoles in paraelectric phases remains poorly understood. Using density functional theory (DFT), we find that unlike the…
A junction between an n- and p-type semiconductor results in the creation of a depletion region whose properties are at the basis of nowadays electronics. If realized using topological insulators as constituent materials, p-n junctions are…
Motivation: Detailed experimental knowledge of the level structure of light weakly bound nuclei is necessary to guide the development of new theoretical approaches that combine nuclear structure with reaction dynamics. Purpose: The resonant…
The energy spectra of the b and bbar quarks in e+e- -> t tbar with t -> b W (tbar -> bbar W) are calculated assuming CP violation in the production process. Expressions for the corresponding CP violating asymmetries and optimal observables…
The average and local structures of the (PbTe)1-x(PbS)x system of thermoelectric materials has been studied using the Rietveld and atomic pair distribution function (PDF) methods. Samples with 0:25 < x are macroscopically phase separated.…
Laser powder bed fusion (L-PBF) additive manufacturing offers a remarkable balance of strength and ductility across many structural alloys. However, L-PBF alloys often display much lower fracture toughness, in some cases up to 70% below…
Recently, a series of reports showing ultra-high electrostrain (> 1 %) have appeared in several Pb-free piezoceramics. The ultrahigh electrostrain has been attributed exclusively to the defect dipoles created in these systems. We examine…
The microscopic physics behind low lattice thermal conductivity of single crystal rocksalt lead telluride (PbTe) is investigated. Mode-dependent phonon (normal and umklapp) scattering rates and their impact on thermal conductivity were…
This Letter presents the most precise measurement to date of the matter-antimatter imbalance at midrapidity in Pb-Pb collisions at a center-of-mass energy per nucleon pair $\sqrt{s_{\rm NN}} = 5.02$ TeV. Using the Statistical Hadronization…
We report numerical calculations of the concentration of interstitials in hard-sphere crystals. We find that, in a three-dimensional fcc hard-sphere crystal at the melting point, the concentration of interstitials is 2 * 10^-8. This is some…
The energy gap of superconducting $PbTe-PbS$ semiconductor superlattices has been analyzed with the help of point contacts for the first time below the critical temperature, $T_{c}=3.9~K$, and in the fluctuation region $T>T_{c}$. The size…
The segregation of solutes to grain boundaries can significantly influence material behavior. Most previous computational studies have concentrated on substitutional solute segregation, neglecting interstitial segregation due to its…
Extending earlier work on a vibronic theory of the FA centers in alkali halides, the reorientation is now considered of an off-center Li+ impurity, either isolated or near an F center. We derive analytically periodic potential energy…